N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

C17H14N2O4S — CID 4800679

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)o1
InChIInChI=1S/C17H14N2O4S/c1-10-2-4-14(23-10)16(20)19-17-18-12(9-24-17)11-3-5-13-15(8-11)22-7-6-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyGJPZYDIMZVBMBQ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.74
Rot. Bonds3

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 4800679) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
PubChem CID4800679
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)o1
InChIInChI=1S/C17H14N2O4S/c1-10-2-4-14(23-10)16(20)19-17-18-12(9-24-17)11-3-5-13-15(8-11)22-7-6-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyGJPZYDIMZVBMBQ-UHFFFAOYSA-N
XLogP3.74
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (CID 4800679) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)o1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is GJPZYDIMZVBMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-10-2-4-14(23-10)16(20)19-17-18-12(9-24-17)11-3-5-13-15(8-11)22-7-6-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 4800679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).